Sugi Predict

Sugi Predict / Compounds / SCHEMBL6708339

SCHEMBL6708339

SCHEMBL6708339

CC(=O)c1cc(CN2CCOCC2)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ HIF1A Q16665 1/20 0.46
▸ EPAS1 Q99814 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17478630 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL28750323 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL17478866 0.85 HCRTR1 (0.56) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13634492 0.84 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HRH3
SCHEMBL13634176 0.83 NOS1 (0.50) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1017258 0.82 HRH3 (0.51) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL15323477 0.82 L3MBTL1 (0.55) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL28247345 0.80 HTT (0.55) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL6708440 0.80 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL12858537 0.80 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents SCHNUTE MARK E (US) 2004-02-05 — — US claimed
EP-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 — — EP claimed
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 — — US claimed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 — — WO claimed
US-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents SCHNUTE MARK E (US) 2004-02-05 — — US disclosed
US-6653307-B2 Such as N-(4-chlorobenzyl)-6-(4-morpholinylmethyl)-4-oxo-1-phenyl-1,4-dihydro-3-quinolinecarboxamide for treatment of herpes virus; viral DNA polymerase inhibitors PHARMACIA & UPJOHN COMPANY 2003-11-25 — — US disclosed
EP-1265873-B1 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2003-10-15 — — EP disclosed
US-6624160-B2 Especially infections of herpes simplex virus type 1, 2, 6, 7, or 8, varicella zoster virus, human cytomegalovirus or epstein-Barr virus; enzyme inhibitors of virus DNA polymerase PHARMACIA & UPJOHN CO. 2003-09-23 — — US disclosed
EP-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 — — EP disclosed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 — — EP disclosed
EP-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 — — EP disclosed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 — — US disclosed
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 — — US disclosed
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-18 — — US disclosed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 — — US disclosed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 — — WO disclosed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 — — WO disclosed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 — — WO disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents HAVCR2, ZC3HAV1, HCFC1 NPC1 498/4885RAB9A 3147/4885SMN1; SMN2 3389/4885
US-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 NPC1 971/4885RAB9A 2067/4885SMN1; SMN2 4052/4885
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, EIF2AK2 NPC1 320/4885RAB9A 1473/4885SMN1; SMN2 2197/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L NPC1 1608/4885RAB9A 2302/4885SMN1; SMN2 4347/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.